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Tandem mass spectrometry (MS/MS) database of over 930,000 (as of December 2023) [59] metabolites and other molecular entities, generated from high resolution quadrupole time-of-flight tandem mass spectrometry. [60]
In mass spectrometry, the molecular mass of a small molecule is usually reported as the monoisotopic mass: that is, the mass of the molecule containing only the most common isotope of each element. This also differs subtly from the molecular mass in that the choice of isotopes is defined and thus is a single specific molecular mass out of the ...
Theoretical isotope distribution for the molecular ion of caffeine. The molecular mass (abbreviated M r) of a substance, formerly also called molecular weight and abbreviated as MW, is the mass of one molecule of that substance, relative to the unified atomic mass unit u (equal to 1/12 the mass of one atom of 12 C).
[1] [2] Mass spectra is a plot of relative abundance against mass-to-charge ratio. It is commonly used for the identification of organic compounds from electron ionization mass spectrometry. [3] [4] Organic chemists obtain mass spectra of chemical compounds as part of structure elucidation and the analysis is part of many organic chemistry ...
Ion mobility spectrometry-mass spectrometry (IMS/MS or IMMS) is a technique where ions are first separated by drift time through some neutral gas under an applied electrical potential gradient before being introduced into a mass spectrometer. [43] Drift time is a measure of the collisional cross section relative to the charge of the ion.
Molecular weight (M.W.) (for molecular compounds) and formula weight (F.W.) (for non-molecular compounds), are older terms for what is now more correctly called the relative molar mass (M r). [8] This is a dimensionless quantity (i.e., a pure number, without units) equal to the molar mass divided by the molar mass constant .
Electron ionization mass spectrum of toluene. Note parent peak corresponding to molecular mass M = 92 (C 7 H 8 +) and highest peak at M-1 = 91 (C 7 H 7 +, quasi-stable tropylium cation). A mass spectrum is a histogram plot of intensity vs. mass-to-charge ratio (m/z) in a chemical sample, [1] usually acquired using an instrument called a mass ...
For example, if an ion carries one charge the m/z is numerically equivalent to the molecular or atomic mass of the ion in daltons (Da), where the numerical value of m/Q is abstruse. The m refers to the molecular or atomic mass number (number of nucleons) and z to the charge number of the ion; however, the quantity of m/z is dimensionless by ...